2-[[4-(2,5-dihydropyrrol-1-ylsulfonyl)phenyl]carbonylamino]-5-iodanyl-benzoic acid

Systemtic Name: 2-[[4-(2,5-dihydropyrrol-1-ylsulfonyl)phenyl]carbonylamino]-5-iodanyl-benzoic acid Openeye Name: 2-[[4-(2,5-dihydropyrrol-1-ylsulfonyl)benzoyl]amino]-5-iodo-benzoic acid CAS Name: 2-[[[4-(2,5-dihydropyrrol-1-ylsulfonyl)phenyl]-oxomethyl]amino]-5-iodobenzoic acid IUPAC Name: 2-[[4-(2,5-dihydropyrrol-1-ylsulfonyl)benzoyl]amino]-5-iodobenzoic acid Traditional Name: 5-iodo-2-[[4-(3-pyrrolin-1-ylsulfonyl)benzoyl]amino]benzoic acid Formula: C18H15IN2O5S MolecularWeight: 498.29157

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C=C(C=C3)I)C(=O)O

Isomeric SMILES

C1C=CCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C=C(C=C3)I)C(=O)O

InChI

InChI=1S/C18H15IN2O5S/c19-13-5-8-16(15(11-13)18(23)24)20-17(22)12-3-6-14(7-4-12)27(25,26)21-9-1-2-10-21/h1-8,11H,9-10H2,(H,20,22)(H,23,24)